Information card for entry 4085103

Structure parameters

• Formula: C68 H60 B2 Cl4 F8 N O2 Os P3
• Calculated formula: C68 H60 B2 Cl4 F8 N O2 Os P3
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([OH]C(c2ccccc2)C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[N]#CC.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes
• Authors of publication: Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 340
• a: 12.1 ± 0.002 Å
• b: 13.567 ± 0.003 Å
• c: 22.242 ± 0.004 Å
• α: 77.41 ± 0.03°
• β: 78.38 ± 0.03°
• γ: 67.03 ± 0.03°
• Cell volume: 3253.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No